1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H17N3O5S2/c1-27-16-7-6-13(23(25)26)10-17(16)28-12-20(24)22-15(19-5-3-9-30-19)11-14(21-22)18-4-2-8-29-18/h2-10,15H,11-12H2,1H3